Exploring the Effect of Enhanced Sampling on Protein Stability Prediction. Journal of chemical theory and computation, (18)4:2569-2583, American Chemical Society, 2022. [PUMA: mult ubs_10004 ubs_20004 ubs_20005 ubs_30040 ubs_30058 ubs_40084 ubs_40282 unibibliografie wos]
CHEMampere : Technologies for sustainable chemical production with renewable electricity and CO2, N2, O2, and H2O. The Canadian journal of chemical engineering, (100)10:2736-2761, Wiley, 2022. [PUMA: mult oa ubs_10003 ubs_10004 ubs_10005 ubs_20003 ubs_20004 ubs_20005 ubs_20007 ubs_30038 ubs_30040 ubs_30055 ubs_30075 ubs_30188 ubs_40102 ubs_40282 ubs_40331 ubs_40345 ubs_40374 unibibliografie wos]
Binding free energies for the SAMPL8 CB8 “Drugs of Abuse” challenge from umbrella sampling combined with Hamiltonian replica exchange. Journal of computer aided molecular design, (36)1:1-9, Springer, 2022. [PUMA: mult oa ubs_10004 ubs_20004 ubs_20005 ubs_20006 ubs_30040 ubs_30058 ubs_30060 ubs_40084 ubs_40282 unibibliografie wos]